5-[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanylbutanoylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanylbutanoylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylbutanoylamino]-2-chloro-benzoic acid CAS Name: 5-[[2-[[3-[[4a,10a-dihydrophenothiazin-10-yl(oxo)methyl]amino]phenyl]thio]-1-oxobutyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylbutanoylamino]-2-chlorobenzoic acid Traditional Name: 5-[2-[[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]thio]butanoylamino]-2-chloro-benzoic acid Formula: C30H26ClN3O4S2 MolecularWeight: 592.12814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

InChI

InChI=1S/C30H26ClN3O4S2/c1-2-25(28(35)32-19-14-15-22(31)21(17-19)29(36)37)39-20-9-7-8-18(16-20)33-30(38)34-23-10-3-5-12-26(23)40-27-13-6-4-11-24(27)34/h3-17,23,25-26H,2H2,1H3,(H,32,35)(H,33,38)(H,36,37)